EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A3TS9X8MEC
EPA CompTox	DTXSID10145552

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A3TS9X8MEC

EPA CompTox

DTXSID10145552


InChI Key	GKZOXESZAALTKG-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)OCCN
InChI	InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h2-19,21H2,1H3

InChI Key

GKZOXESZAALTKG-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCCN

InChI

InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h2-19,21H2,1H3

Property Name	Value
Molecular Formula	C20H41N1O2
Molecular Weight	327.31
AlogP	5.75
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	52.32
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C20H41N1O2

Molecular Weight

327.31

AlogP

5.75

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

52.32

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	10287-60-2
NORMAN SUSDAT
FDA SRS	A3TS9X8MEC
PubChem	82518
ChemSpider	74470.0

Resources

Reference

CAS NUMBER

10287-60-2

NORMAN SUSDAT

FDA SRS

A3TS9X8MEC

PubChem

82518

ChemSpider

74470.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-AMINOETHYL STEARATE

Structure

Physicochemical Descriptors

Cross References